COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528643
Chemical Name: (5Z)-1-(2-ethoxyphenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)methyl]amino}methylidene)-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: CCOc1ccccc1N1C(=O)N=C(/C(=C/NCC2[NH+](C)CCc3c2c(OC)c2c(c3)OCO2)/C1=O)[O-]

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Molecular Weight: 508.53
Empirical Formula: C26H28N4O7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.593
Rotatable bonds: 5
H-donors: 2
H-acceptors: 7
PSA: 126
Number of rings: 5

     

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